SCHEMBL3754272

SCHEMBL3754272

CNc1nnc(Cl)c2cc(C)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 3/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
GOT1 P17174 1/20 0.41
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
HPGD P15428 2/20 0.38
PDE5A O76074 3/20 0.37
KDM4E B2RXH2 4/20 0.35
IKBKB O14920 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3759501 0.82 LMNA (0.44) ALDH1A1MAPTSMN1; SMN2LMNARAB9A
SCHEMBL30040888 0.82 LMNA (0.44) ALDH1A1MAPTSMN1; SMN2LMNARAB9A
SCHEMBL23562822 0.77 LMNA (0.40) ALDH1A1MAPTSMN1; SMN2LMNARAB9A
SCHEMBL18454567 0.77 GOT1 (0.66) ALDH1A1MAPTSMN1; SMN2LMNARAB9A
SCHEMBL4893783 0.70 LMNA (0.38) ALDH1A1MAPTSMN1; SMN2LMNARAB9A
SCHEMBL3754268 0.70 FLT1 (0.39) ALDH1A1MAPTSMN1; SMN2LMNARAB9A
SCHEMBL4814239 0.68 FLT1 (0.64) FLT1KDR
SCHEMBL8303089 0.68 MAPK14 (0.43) ALDH1A1MAPTSMN1; SMN2LMNARAB9A
SCHEMBL25857309 0.68 FLT1 (0.43) ALDH1A1MAPTSMN1; SMN2LMNARAB9A
SCHEMBL21055786 0.67 LMNA (0.44) ALDH1A1MAPTLMNAKDRPDE5A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842805-B2 Pharmaceutical compounds as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2010-11-30 US disclosed
EP-1833803-A4 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS INC (US) 2009-08-05 EP disclosed
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 US disclosed
EP-1833803-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2007-09-19 EP disclosed
WO-2006074223-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2006-07-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CASP3, CASP2, CASP5 ALDH1A1 1221/4885MAPT 2963/4885SMN1; SMN2 2939/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.